SCHEMBL30006430

SCHEMBL30006430

NNC(=O)[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
P2RX7 Q99572 2/20 0.40
ALDH1A1 P00352 2/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ANPEP P15144 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
KDM1A O60341 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7351251 1.00 HDAC4 (0.40) HDAC4HDAC7HDAC5P2RX7ALDH1A1
SCHEMBL177215 0.81 ALDH1A1 (0.41) P2RX7ALDH1A1AURKARPS6KB1NAMPT
SCHEMBL177088 0.81 ALDH1A1 (0.41) P2RX7ALDH1A1AURKARPS6KB1NAMPT
SCHEMBL3092977 0.81 ALDH1A1 (0.41) P2RX7ALDH1A1AURKARPS6KB1NAMPT
SCHEMBL2699779 0.81 ALDH1A1 (0.41) P2RX7ALDH1A1AURKARPS6KB1NAMPT
SCHEMBL4758031 0.81 ALDH1A1 (0.41) P2RX7ALDH1A1AURKARPS6KB1NAMPT
SCHEMBL10002494 0.81 ALDH1A1 (0.41) P2RX7ALDH1A1AURKARPS6KB1NAMPT
SCHEMBL3327022 0.79 ALDH1A1 (0.41) P2RX7ALDH1A1NAMPTMEN1KMT2A
SCHEMBL8045772 0.79 ALDH1A1 (0.41) P2RX7ALDH1A1NAMPTMEN1KMT2A
SCHEMBL8410178 0.79 ALDH1A1 (0.41) P2RX7ALDH1A1NAMPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4079805-B1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER IND (JP) 2026-02-18 EP disclosed
EP-4079805-A1 RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2022-10-26 EP disclosed